* LIGAND DATABASE FILE (OPLS2005)
*
001     101   106    202    338     611
    1     0 S   NP   _N1_     1    28.69740    96.46601   -23.79557
    2     1 S   H    _HN1     2     1.02828    37.50992   171.37188
    3     1 S   H    _H1_     3     1.02787   108.00121   -92.47610
    4     1 S   H    _H2_     4     1.02949    71.70207    11.50300
    5     1 S   CT   _CA1     5     1.50121   136.02629   112.22077
    6     5 S   HC   _HA1     6     1.09574   105.17754    93.26959
    7     5 S   CO3  _C1_     7     1.53780   112.46401   -26.93723
    8     7 S   O2Z  _O11     8     1.26374   115.00592   -42.29835
    9     7 S   O2Z  _O12     9     1.26240   114.94755   136.76214
   10     5 S   CT   _CB1    10     1.53069   107.40768  -148.76030
   11    10 S   HC   HB11    11     1.09836   109.34358   -49.58755
   12    10 S   HC   HB12    12     1.09812   110.46174    67.01321
   13    10 S   CT   _CG1    13     1.52998   112.62408  -170.55302
   14    13 S   HC   HG11    14     1.09577   110.66096   -66.45550
   15    13 S   HC   HG12    15     1.09672   109.75622    52.78431
   16    13 S   C    _CD1    16     1.51807   112.14939   173.22656
   17    16 S   O    _OE1    17     1.22739   123.24519     8.72954
   18    16 S   N    _N2_    18     1.38656   111.71562  -171.31850
   19    18 S   H    _HN2    19     1.01577   118.97790     1.43258
   20    18 S   CT1  _CA2    20     1.46186   123.37104   177.03008
   21    20 S   HC   _HA2    21     1.09748   109.30909     4.72530
   22    20 S   C    _C2_    22     1.53620   108.92570  -110.70006
   23    22 S   O    _O2_    23     1.23083   122.21063  -149.78100
   24    20 S   CT   _CB2    32     1.53379   111.61970   126.68632
   25    24 S   HC   HB21    33     1.09465   109.98172    55.64253
   26    24 S   HC   HB22    34     1.09424   109.89040   174.21972
   27    22 S   N    _N3_    24     1.38309   113.84278    37.76350
   28    27 S   H    _HN3    25     1.01566   119.58868    -3.37005
   29    24 S   S    _SG2    35     1.83037   111.20289   -65.25019
   30    27 S   CT   _CA3    26     1.45278   123.23282   177.06648
   31    30 S   HC   HA31    27     1.09550   107.51475   -64.44071
   32    30 S   HC   HA32    28     1.09557   107.98074    51.99624
   33    29 S   CT   _C11    36     1.86603   100.36075  -160.49401
   34    33 S   HC   _H4_    37     1.09451   109.02377    28.38219
   35    30 S   CO3  _C3_    29     1.52962   114.08237   173.99185
   36    35 S   O2Z  _O31    30     1.26378   116.08997    -0.66205
   37    35 S   O2Z  _O32    31     1.26431   114.40600   179.39997
   38    33 S   CO4  _C12    38     1.53220   105.14979   -82.75255
   39    38 S   O    _O33    39     1.23148   121.83164    49.78260
   40    38 S   OS   _O34    40     1.34548   119.33194  -134.22847
   41    40 S   CT   _C13    41     1.44232   125.26906     6.22718
   42    41 S   HC   _H5_    42     1.09818   105.09815    87.12721
   43    41 S   C5BC _C14    43     1.50915   108.74433  -160.21761
   44    41 S   CT   _C5_    51     1.56653   111.68867   -32.33772
   45    43 S   C5BC _C15    44     1.42597   128.02036    39.72228
   46    45 S   HA   _H16    45     1.08089   127.43033     0.80186
   47    44 S   CT   _C6_    52     1.56711   107.63723   176.25749
   48    47 S   HC   _H12    53     1.09815   109.14224    84.86405
   49    47 S   HC   _H13    54     1.09798   110.43571   -30.13331
   50    33 S   CT   _C10    81     1.56842   113.24942   148.44852
   51    44 S   CT   _C4_    98     1.55796   108.13427   -63.29515
   52    51 S   HC   _H9_    99     1.09502   112.20849    38.85438
   53    51 S   HC   _H10   100     1.09542   111.31393   -80.75851
   54    51 S   HC   _H11   101     1.08905   114.04651   157.98555
   55    45 S   C5A  _C16    46     1.37439   106.70003  -179.19133
   56    55 S   HA   _H17    47     1.08027   133.82586  -179.79347
   57    47 S   CT   _C7_    55     1.53326   117.01514  -151.89813
   58    57 S   HC   _H14    56     1.09440   110.21149   100.00647
   59    57 S   HC   _H15    57     1.09254   106.97758  -145.31631
   60    50 S   OH   _O36    82     1.45426   105.12005    45.39813
   61    60 S   HO   _H19    83     0.96990   109.57724   179.02341
   62    55 S   OA   _O35    48     1.35631   110.46556     0.58983
   63    57 S   CT   _C8_    58     1.51787   111.09884   -23.62007
   64    63 S   HC   _H3_    59     1.09271   102.65117   -48.41239
   65    43 S   C5A  _C17    49     1.38235   127.05050  -138.14230
   66    65 S   HA   _H18    50     1.08071   133.43493    -0.86728
   67    63 S   CT   _C21    60     1.57477   116.56188  -158.31114
   68    67 S   CT   _C22    61     1.54651   112.54028   -67.30989
   69    68 S   HC   _H20    62     1.09079   110.97615   -91.20482
   70    68 S   HC   _H21    63     1.09403   111.32808    28.64846
   71    67 S   CT   _C20    74     1.53898   104.09877   164.44799
   72    71 S   HC   _H7_    75     1.10463   107.40915   -49.44535
   73    68 S   OS   _O38    64     1.44431   116.54115   149.34357
   74    71 S   CO4  _C19    76     1.50698   111.28159    61.10287
   75    74 S   O    _O37    77     1.22728   123.02129   122.37867
   76    73 S   CO4  _C23    65     1.35285   120.31813   -49.14869
   77    76 S   O    _O39    66     1.22629   122.32233  -159.70447
   78    74 S   CT   _C18    78     1.54530   113.94259   -61.57155
   79    78 S   HC   _H6_    79     1.09441   106.83966   -67.91735
   80    76 S   CT   _C24    67     1.50023   115.03190    20.51820
   81    80 S   HC   _H22    68     1.09644   107.03095   150.26879
   82    80 S   HC   _H23    69     1.09121   108.72035   -92.56646
   83    63 S   CT   _C9_    80     1.61239   111.61729    65.05801
   84    78 S   OH   _O41    88     1.41681   106.21842   177.07163
   85    84 S   HO   _H30    89     0.97322   107.87978    56.18255
   86    67 S   CT   _C25    70     1.53681   117.21262    58.60575
   87    86 S   HC   _H8_    71     1.09686   111.51548    29.88116
   88    83 S   CT   _C29    84     1.56209   111.90268    75.53982
   89    88 S   HC   _H31    85     1.09315   112.42313   -44.51805
   90    88 S   HC   _H32    86     1.09280   112.03648  -164.99782
   91    88 S   HC   _H33    87     1.09078   112.80229    77.91661
   92    86 S   OS   _O40    72     1.45890   106.35538   146.13814
   93    92 S   CT   _C26    73     1.44934   110.11707   -20.99158
   94    93 S   CT   _C27    90     1.53428   106.92477  -122.83431
   95    94 S   HC   _H24    91     1.09626   110.77362   -63.11654
   96    94 S   HC   _H25    92     1.09480   111.51427   175.88153
   97    94 S   HC   _H26    93     1.09620   111.25950    54.45741
   98    93 S   CT   _C28    94     1.52831   109.35222   120.06794
   99    98 S   HC   _H27    95     1.09634   110.45815    48.47624
  100    98 S   HC   _H28    96     1.08990   113.01125   -70.27752
  101    98 S   HC   _H29    97     1.09479   111.63039   168.58028
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  15   7   2   1   1   9   3   9  20   7  11  19   6   4  15   7
   6  19   6   2   1   1   4   2  11   5   4   5   1   2  22   7
   1   1  21  14   5   4  21   8   6  12   5   7   4   9   4   6
   4   3   7   2   1   5   2   3   2   1   1   9   8   7   3   2
   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    83    50    60  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    63    78    83    50    60    61    88    51  
   38    39    40    44    83    50    60  
   36    37  
   37  
    0  
   39    40    41    42    43    44    83    50    60  
   40    41    50  
   41    42    43    45    65    44    47    50    51  
   42    43    45    46    55    62    65    66    44    47    48    49    57    83    50    60    51    52    53    54  
   43    45    65    44    47    50    51  
   45    46    55    56    62    65    66    44    47    50    51  
   47    48    49    57    58    59    63    78    83    50    60    61    88    51    52    53    54    45    65  
   46    55    56    62    65    66  
   55    56    62    65  
   48    49    57    58    59    63    64    67    83    50    60    51    52    53    54  
   49    57    58    59    63    50    51  
   57    58    59    63    50    51  
   60    61    88    89    90    91    84    51    52    53    54    57    63    64    67    74    78    79    83  
   52    53    54    57    60    83  
   53    54  
   54  
    0  
   56    62    65    66  
   62    65  
   58    59    63    64    67    68    86    71    78    83    88  
   59    63    64    67    83  
   63    64    67    83  
   61    88    63    78    83  
   83  
   65    66  
   64    67    68    69    70    73    80    86    87    92    93    71    72    74    78    79    83    88    89    90    91    84  
   67    68    86    71    78    83    88  
   66  
    0  
   68    69    70    73    76    80    81    82    86    87    92    93    71    72    74    75    78    83    88    94    98  
   69    70    73    76    77    80    86    87    92    93    71    72    74    83  
   70    73    76    86    71  
   73    76    86    71  
   72    74    75    78    79    83    84    94    95    96    97    98    99   100   101    73    80    86    87    92    93  
   74    75    78    94    98    86    92    93  
   76    77    80    81    82    86  
   75    78    79    83    88    84    85    94    98    86    92    93  
   78    79    83    84    93  
   77    80    81    82    86    87    92  
   80    81    82    86  
   79    83    88    89    90    91    84    85    93  
   83    88    84    85  
   81    82    86    87    92    93  
   82    86    87    92  
   86    87    92  
   88    89    90    91    84    85    86  
   85    88  
    0  
   87    92    93    94    98  
   92    93  
   89    90    91  
   90    91  
   91  
    0  
   93    94    95    96    97    98    99   100   101  
   94    95    96    97    98    99   100   101  
   95    96    97    98    99   100   101  
   96    97    98  
   97    98  
   98  
   99   100   101  
  100   101  
  101  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   74   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   93   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   94   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.522
   33    50   268.000  1.529
   38    39   570.000  1.229
   38    40   214.000  1.327
   40    41   320.000  1.410
   41    42   340.000  1.090
   41    43   285.000  1.502
   41    44   268.000  1.529
   43    45   469.000  1.424
   43    65   546.000  1.367
   45    46   367.000  1.080
   45    55   546.000  1.367
   55    56   367.000  1.080
   55    62   340.000  1.360
   62    65   340.000  1.360
   65    66   367.000  1.080
   44    47   268.000  1.529
   44    50   268.000  1.529
   44    51   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    63   268.000  1.529
   63    64   340.000  1.090
   63    67   268.000  1.529
   63    83   268.000  1.529
   67    68   268.000  1.529
   67    86   268.000  1.529
   67    71   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    73   320.000  1.410
   73    76   214.000  1.327
   76    77   570.000  1.229
   76    80   317.000  1.522
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    86   268.000  1.529
   86    87   340.000  1.090
   86    92   320.000  1.410
   92    93   320.000  1.410
   93    71   268.000  1.529
   93    94   268.000  1.529
   93    98   268.000  1.529
   71    72   340.000  1.090
   71    74   317.000  1.522
   74    75   570.000  1.229
   74    78   317.000  1.522
   78    79   340.000  1.090
   78    83   268.000  1.529
   78    84   320.000  1.410
   83    50   268.000  1.529
   83    88   268.000  1.529
   50    60   320.000  1.410
   60    61   553.000  0.945
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   84    85   553.000  0.945
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  110.18000
   29    33    50    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    81.00000  111.40000
   33    50    44    58.35000  112.70000
   33    50    83    58.35000  112.70000
   33    50    60    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    83.00000  116.90000
   40    38    39    83.00000  123.40000
   40    41    42    35.00000  109.50000
   40    41    43    85.00000  111.85700
   40    41    44    50.00000  109.50000
   41    43    45    60.00000  130.00000
   41    43    65    60.00000  130.00000
   41    44    47    58.35000  112.70000
   41    44    50    58.35000  112.70000
   41    44    51    58.35000  112.70000
   43    41    42    35.00000  109.50000
   43    45    46    35.00000  127.50000
   43    45    55    70.00000  107.30000
   43    65    62    70.00000  110.60000
   43    65    66    35.00000  132.10000
   45    55    56    35.00000  132.10000
   45    55    62    70.00000  110.60000
   55    45    46    35.00000  125.70000
   55    62    65    70.00000  106.50000
   62    55    56    35.00000  113.40000
   62    65    66    35.00000  113.40000
   65    43    45    70.00000  107.30000
   44    41    42    37.50000  110.70000
   44    41    43    70.00000  112.17500
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    57    58.35000  112.70000
   44    50    83    58.35000  112.70000
   44    50    60    50.00000  109.50000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    54    37.50000  110.70000
   47    57    58    37.50000  110.70000
   47    57    59    37.50000  110.70000
   47    57    63    58.35000  112.70000
   49    47    48    33.00000  107.80000
   57    47    48    37.50000  110.70000
   57    47    49    37.50000  110.70000
   57    63    64    37.50000  110.70000
   57    63    67    58.35000  112.70000
   57    63    83    58.35000  112.70000
   59    57    58    33.00000  107.80000
   63    57    58    37.50000  110.70000
   63    57    59    37.50000  110.70000
   63    67    68    58.35000  112.70000
   63    67    86    58.35000  112.70000
   63    67    71    58.35000  112.70000
   63    83    78    58.35000  112.70000
   63    83    50    58.35000  112.70000
   63    83    88    58.35000  112.70000
   67    63    64    37.50000  110.70000
   67    68    69    37.50000  110.70000
   67    68    70    37.50000  110.70000
   67    68    73    50.00000  109.50000
   67    86    80    58.35000  112.70000
   67    86    87    37.50000  110.70000
   67    86    92    50.00000  109.50000
   67    71    93    58.35000  112.70000
   67    71    72    37.50000  110.70000
   67    71    74    63.00000  111.10000
   68    73    76    83.00000  116.90000
   70    68    69    33.00000  107.80000
   73    68    69    35.00000  109.50000
   73    68    70    35.00000  109.50000
   73    76    77    83.00000  123.40000
   73    76    80    81.00000  111.40000
   76    80    81    35.00000  109.50000
   76    80    82    35.00000  109.50000
   76    80    86    63.00000  111.10000
   80    76    77    80.00000  120.40000
   80    86    87    37.50000  110.70000
   80    86    92    50.00000  109.50000
   82    80    81    33.00000  107.80000
   86    67    68    58.35000  112.70000
   86    80    81    37.50000  110.70000
   86    80    82    37.50000  110.70000
   86    92    93    60.00000  109.50000
   92    86    87    35.00000  109.50000
   92    93    71    50.00000  109.50000
   92    93    94    50.00000  109.50000
   92    93    98    50.00000  109.50000
   93    71    72    37.50000  110.70000
   93    71    74    63.00000  111.10000
   93    94    95    37.50000  110.70000
   93    94    96    37.50000  110.70000
   93    94    97    37.50000  110.70000
   93    98    99    37.50000  110.70000
   93    98   100    37.50000  110.70000
   93    98   101    37.50000  110.70000
   71    67    68    58.35000  112.70000
   71    67    86    58.35000  112.70000
   71    74    75    80.00000  120.40000
   71    74    78    70.00000  116.00000
   74    71    72    35.00000  109.50000
   74    78    79    35.00000  109.50000
   74    78    83    63.00000  111.10000
   74    78    84    90.00000  109.61100
   78    74    75    80.00000  120.40000
   78    83    50    58.35000  112.70000
   78    83    88    58.35000  112.70000
   78    84    85    55.00000  108.50000
   83    63    64    37.50000  110.70000
   83    63    67    58.35000  112.70000
   83    78    79    37.50000  110.70000
   83    50    60    50.00000  109.50000
   83    88    89    37.50000  110.70000
   83    88    90    37.50000  110.70000
   83    88    91    37.50000  110.70000
   50    33    34    37.50000  110.70000
   50    33    38    63.00000  111.10000
   50    44    47    58.35000  112.70000
   50    60    61    55.00000  108.50000
   88    83    50    58.35000  112.70000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   84    78    79    35.00000  109.50000
   84    78    83    50.00000  109.50000
   94    93    71    58.35000  112.70000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   98    93    71    58.35000  112.70000
   98    93    94    58.35000  112.70000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
   51    44    47    58.35000  112.70000
   51    44    50    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
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   79    78    83    63   0.15000  1.0 3.0
   79    78    83    50   0.15000  1.0 3.0
   79    78    83    88   0.15000  1.0 3.0
   79    78    84    85   0.19450  1.0 3.0
   83    63    67    68   0.56750  1.0 1.0
   83    63    67    68  -0.07550 -1.0 2.0
   83    63    67    68   0.20000  1.0 3.0
   83    63    67    86   0.56750  1.0 1.0
   83    63    67    86  -0.07550 -1.0 2.0
   83    63    67    86   0.20000  1.0 3.0
   83    63   -67    71   0.56750  1.0 1.0
   83    63   -67    71  -0.07550 -1.0 2.0
   83    63   -67    71   0.20000  1.0 3.0
   83    78    84    85  -0.11600  1.0 1.0
   83    78    84    85  -0.09450 -1.0 2.0
   83    78    84    85   0.21250  1.0 3.0
   83    50    60    61  -0.11600  1.0 1.0
   83    50    60    61  -0.09450 -1.0 2.0
   83    50    60    61   0.21250  1.0 3.0
   50    33    38    39   0.30150 -1.0 2.0
   50    33   -38    40   0.36750  1.0 3.0
   50    44    47    48   0.15000  1.0 3.0
   50    44    47    49   0.15000  1.0 3.0
   50    44   -47    57   0.56750  1.0 1.0
   50    44   -47    57  -0.07550 -1.0 2.0
   50    44   -47    57   0.20000  1.0 3.0
   50    44    51    52   0.15000  1.0 3.0
   50    44    51    53   0.15000  1.0 3.0
   50    44    51    54   0.15000  1.0 3.0
   50    83    88    89   0.15000  1.0 3.0
   50    83    88    90   0.15000  1.0 3.0
   50    83    88    91   0.15000  1.0 3.0
   88    83    50    33   0.56750  1.0 1.0
   88    83    50    33  -0.07550 -1.0 2.0
   88    83    50    33   0.20000  1.0 3.0
   88    83    50    44   0.56750  1.0 1.0
   88    83    50    44  -0.07550 -1.0 2.0
   88    83    50    44   0.20000  1.0 3.0
   88    83    50    60   0.86500  1.0 1.0
   88    83    50    60  -0.17500 -1.0 2.0
   88    83    50    60   0.20800  1.0 3.0
   84    78    83    63   0.86500  1.0 1.0
   84    78    83    63  -0.17500 -1.0 2.0
   84    78    83    63   0.20800  1.0 3.0
   84    78    83    50   0.86500  1.0 1.0
   84    78    83    50  -0.17500 -1.0 2.0
   84    78    83    50   0.20800  1.0 3.0
   84    78    83    88   0.86500  1.0 1.0
   84    78    83    88  -0.17500 -1.0 2.0
   84    78    83    88   0.20800  1.0 3.0
   94    93    71    67   0.56750  1.0 1.0
   94    93    71    67  -0.07550 -1.0 2.0
   94    93    71    67   0.20000  1.0 3.0
   94    93    71    72   0.15000  1.0 3.0
   94    93    71    74  -0.95700  1.0 1.0
   94    93    71    74  -0.18200 -1.0 2.0
   94    93    71    74   0.29450  1.0 3.0
   94    93    98    99   0.15000  1.0 3.0
   94    93    98   100   0.15000  1.0 3.0
   94    93    98   101   0.15000  1.0 3.0
   98    93    71    67   0.56750  1.0 1.0
   98    93    71    67  -0.07550 -1.0 2.0
   98    93    71    67   0.20000  1.0 3.0
   98    93    71    72   0.15000  1.0 3.0
   98    93    71    74  -0.95700  1.0 1.0
   98    93    71    74  -0.18200 -1.0 2.0
   98    93    71    74   0.29450  1.0 3.0
   98    93    94    95   0.15000  1.0 3.0
   98    93    94    96   0.15000  1.0 3.0
   98    93    94    97   0.15000  1.0 3.0
   51    44    47    48   0.15000  1.0 3.0
   51    44    47    49   0.15000  1.0 3.0
   51    44    47    57   0.56750  1.0 1.0
   51    44    47    57  -0.07550 -1.0 2.0
   51    44    47    57   0.20000  1.0 3.0
   51    44    50    33   0.56750  1.0 1.0
   51    44    50    33  -0.07550 -1.0 2.0
   51    44    50    33   0.20000  1.0 3.0
   51    44    50    83   0.56750  1.0 1.0
   51    44    50    83  -0.07550 -1.0 2.0
   51    44    50    83   0.20000  1.0 3.0
   51    44    50    60   0.86500  1.0 1.0
   51    44    50    60  -0.17500 -1.0 2.0
   51    44    50    60   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   45    65    43    41   4.00000 -1.0 2.0
   55    46    45    43   1.10000 -1.0 2.0
   62    56    55    45   1.10000 -1.0 2.0
   62    66    65    43   1.10000 -1.0 2.0
   73    80    76    77  10.50000 -1.0 2.0
   71    78    74    75  10.50000 -1.0 2.0
END
